| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
101 |
29 |
11154 |
◊ |
A |
x,y,z |
1_555 |
97 |
28 |
10568 |
1064.9 |
-21.4 |
0.001 |
4 |
0 |
0 |
0.517 |
| 2 |
2 |
|
A |
94 |
33 |
10568 |
◊ |
B |
x-1,y,z |
1_455 |
93 |
31 |
11154 |
797.4 |
-3.7 |
0.392 |
3 |
0 |
0 |
0.136 |
| 3 |
3 |
|
B |
49 |
13 |
11154 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
56 |
16 |
11154 |
494.1 |
-0.2 |
0.633 |
6 |
4 |
0 |
0.000 |
| 4 |
4 |
|
A |
49 |
13 |
10568 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
54 |
15 |
11154 |
468.3 |
-3.4 |
0.346 |
3 |
3 |
0 |
0.000 |
| 5 |
5 |
|
[QIC]B:301 |
12 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
36 |
16 |
11154 |
211.9 |
0.6 |
0.402 |
5 |
0 |
0 |
0.043 |
| 6 |
6 |
|
[QIC]A:301 |
12 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
31 |
15 |
10568 |
201.3 |
2.1 |
0.565 |
10 |
0 |
0 |
0.062 |
| 7 |
7 |
|
B |
17 |
4 |
11154 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
14 |
4 |
10568 |
138.6 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
A |
17 |
5 |
10568 |
◊ |
B |
x-1,y,z+1 |
1_456 |
16 |
6 |
11154 |
125.9 |
1.2 |
0.642 |
1 |
2 |
0 |
0.000 |
| 9 |
9 |
|
B |
16 |
4 |
11154 |
x |
B |
x-1,y,z |
1_455 |
10 |
3 |
11154 |
116.7 |
0.8 |
0.716 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
8 |
4 |
10568 |
x |
A |
x-1,y,z |
1_455 |
11 |
3 |
10568 |
79.1 |
0.8 |
0.726 |
1 |
0 |
0 |
0.000 |
| Average: |
97.9 |
0.8 |
0.721 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
A |
8 |
2 |
10568 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
10568 |
88.6 |
-1.1 |
0.358 |
2 |
2 |
0 |
0.000 |
| 11 |
12 |
|
B |
9 |
6 |
11154 |
x |
B |
-x,y-1/2,-z |
2_545 |
8 |
3 |
11154 |
77.5 |
0.7 |
0.699 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
A |
11 |
5 |
10568 |
x |
A |
-x-1,y-1/2,-z+1 |
2_446 |
13 |
4 |
10568 |
73.5 |
2.0 |
0.852 |
1 |
1 |
0 |
0.000 |
| 13 |
14 |
|
[NI]B:305 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11154 |
50.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.279 |
15 |
|
A |
3 |
1 |
10568 |
◊ |
[NI]B:305 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
38.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.279 |
| Average: |
44.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.279 |
| 14 |
16 |
|
[NI]A:303 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10568 |
46.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[NI]B:303 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11154 |
42.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
44.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[NI]B:304 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
11154 |
43.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
A |
5 |
2 |
10568 |
f |
[NI]B:304 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
115 |
43.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.127 |
| 17 |
20 |
|
[NI]A:303 |
1 |
1 |
115 |
cf |
B |
x-1,y,z+1 |
1_456 |
5 |
2 |
11154 |
43.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.117 |
| 18 |
21 |
|
[NI]B:302 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11154 |
37.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.180 |
22 |
|
[NI]A:302 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
10568 |
37.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.180 |
| Average: |
37.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.180 |
| 19 |
23 |
|
A |
4 |
2 |
10568 |
f |
[NI]B:303 |
x-1,y,z+1 |
1_456 |
1 |
1 |
115 |
22.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.056 |
| 20 |
24 |
|
[NI]B:302 |
1 |
1 |
115 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11154 |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
3 |
1 |
10568 |
◊ |
[NI]A:302 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
11.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|